CAS RN: 1185320-22-2
2-(n-Propyl-d7)-imidazole
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260307 | 1mg / 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINP889874
1185320-22-2 / 2-(1,1,2,2,3,3,3-heptadeuteriopropyl)-1H-imidazole
2-(n-Propyl-d7)-imidazole | AKOS015944153 | CS-17753
Basic Information
CAS
1185320-22-2
Multi CAS
No
Molecular Formula
C6H10N2
Molecular Weight
117.200000
Exact Mass
117.128336
SMILES
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C1=NC=CN1
InChI
InChI=1S/C6H10N2/c1-2-3-6-7-4-5-8-6/h4-5H,2-3H2,1H3,(H,7,8)/i1D3,2D2,3D2
InChIKey
MKBBSFGKFMQPPC-NCKGIQLSSA-N
Synonyms
2-(n-Propyl-d7)-imidazole
AKOS015944153
CS-17753
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
32.58
TPSA
28.68
LogP / Solubility
WLOGP
1.36
MLOGP
1.19
XLogP3
1.3
Consensus LogP
1.28
Log S (ESOL)
-1.71
Class (ESOL)
Soluble
Log S (Ali)
-1.45
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.75
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
-
2-([1,1′-Biphenyl]-4-yl)-5,6-dihydroimidazo[2,1-b]thiazole hydrobromide
- CAS RN: 1049780-58-6
- Product Code: LINB899636
-
-
![CAS 1049780-58-6 2-([1,1′-Biphenyl]-4-yl)-5,6-dihydroimidazo[2,1-b]thiazole hydrobromide molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/1049780-58-6.png)
